[3-(1,3-benzodioxol-5-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxo-chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-keto-chromen-8-yl]methyl-dimethyl-ammonium Formula: C21H22NO5+ MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)C[NH+](C)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)C[NH+](C)C)O

InChI

InChI=1S/C21H21NO5/c1-4-12-7-14-20(24)16(13-5-6-17-18(8-13)27-11-26-17)10-25-21(14)15(19(12)23)9-22(2)3/h5-8,10,23H,4,9,11H2,1-3H3/p+1